4-Bromobenzyl isocyanate - CAS 302912-23-8

Name: 4-Bromobenzyl isocyanate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB020525
Product Name:	4-Bromobenzyl isocyanate
CAS:	302912-23-8
Synonyms:	1-bromo-4-(isocyanatomethyl)benzene

Technical Data

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Computed Properties

IUPAC Name:	1-bromo-4-(isocyanatomethyl)benzene
Description:	4-Bromobenzyl isocyanate (CAS# 302912-23-8 ) is a useful research chemical.
Molecular Weight:	212.04
Molecular Formula:	C8H6BrNO
Canonical SMILES:	C1=CC(=CC=C1CN=C=O)Br
InChI:	InChI=1S/C8H6BrNO/c9-8-3-1-7(2-4-8)5-10-6-11/h1-4H,5H2
InChI Key:	IXWMDGLNJQNMIO-UHFFFAOYSA-N
Boiling Point:	266 °C (lit.)
Purity:	95 %
Density:	1.514 g/cm³
MDL:	MFCD01863681
LogP:	2.28490

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[51355-91-0]C6H8ClN3O2
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]C4H4ClN3O2
1-(Chloromethyl)-3-nitro-1H-pyrazole
[62838-59-9]C8H12N2
1-Cyclopentyl-1H-pyrazole
[1281984-38-0]C8H10N4O4
1-Cyclopentyl-3,5-dinitro-1H-pyrazole

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P285, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P312, P322, P330, P337+P313, P342+P311, P363, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-112670571-A	Multifunctional electrolyte additive, electrolyte and preparation method and application thereof	20201201
CN-111969245-A	High-safety solid electrolyte and preparation method and application thereof	20200417
US-2021174983-A1	Compositions for the filling of high aspect ratio vertical interconnect access (via) holes	20191204
WO-2021112933-A1	Compositions for the filling of high aspect ratio vertical interconnect access (via) holes	20191204
WO-2021004842-A1	Polymerizable compositions for preparing polyisocyanurate-based plastics having extended worklife	20190708

Complexity:	158
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.96328
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	210.96328
Rotatable Bond Count:	2
Topological Polar Surface Area:	29.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3